(7S,8S)-N,N-dimethyl-7,8-diphenyl-2-azabicyclo[3.2.2]nonan-5-amine

C22H28N2 — CID 44585513

IUPAC(7S,8S)-N,N-dimethyl-7,8-diphenyl-2-azabicyclo[3.2.2]nonan-5-amine
SMILESCN(C)C12CCNC([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2
InChIInChI=1S/C22H28N2/c1-24(2)22-13-14-23-21(19(15-22)17-9-5-3-6-10-17)20(16-22)18-11-7-4-8-12-18/h3-12,19-21,23H,13-16H2,1-2H3/t19-,20-,21?,22?/m0/s1
InChIKeyFPNYLRPWPLDJPE-PHZLKFDYSA-N
MW320.48 g/mol
LogP4.01
Rot. Bonds3

About (7S,8S)-N,N-dimethyl-7,8-diphenyl-2-azabicyclo[3.2.2]nonan-5-amine

(7S,8S)-N,N-dimethyl-7,8-diphenyl-2-azabicyclo[3.2.2]nonan-5-amine (PubChem CID 44585513) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is (7S,8S)-N,N-dimethyl-7,8-diphenyl-2-azabicyclo[3.2.2]nonan-5-amine.

Molecular Properties

Compound Name(7S,8S)-N,N-dimethyl-7,8-diphenyl-2-azabicyclo[3.2.2]nonan-5-amine
PubChem CID44585513
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC Name(7S,8S)-N,N-dimethyl-7,8-diphenyl-2-azabicyclo[3.2.2]nonan-5-amine
SMILESCN(C)C12CCNC([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2
InChIInChI=1S/C22H28N2/c1-24(2)22-13-14-23-21(19(15-22)17-9-5-3-6-10-17)20(16-22)18-11-7-4-8-12-18/h3-12,19-21,23H,13-16H2,1-2H3/t19-,20-,21?,22?/m0/s1
InChIKeyFPNYLRPWPLDJPE-PHZLKFDYSA-N
XLogP4.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7S,8S)-N,N-dimethyl-7,8-diphenyl-2-azabicyclo[3.2.2]nonan-5-amine?
The IUPAC name of (7S,8S)-N,N-dimethyl-7,8-diphenyl-2-azabicyclo[3.2.2]nonan-5-amine (CID 44585513) is (7S,8S)-N,N-dimethyl-7,8-diphenyl-2-azabicyclo[3.2.2]nonan-5-amine.
What is the SMILES notation for (7S,8S)-N,N-dimethyl-7,8-diphenyl-2-azabicyclo[3.2.2]nonan-5-amine?
The canonical SMILES for (7S,8S)-N,N-dimethyl-7,8-diphenyl-2-azabicyclo[3.2.2]nonan-5-amine is CN(C)C12CCNC([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2.
What is the InChIKey of (7S,8S)-N,N-dimethyl-7,8-diphenyl-2-azabicyclo[3.2.2]nonan-5-amine?
The InChIKey is FPNYLRPWPLDJPE-PHZLKFDYSA-N. The full InChI is InChI=1S/C22H28N2/c1-24(2)22-13-14-23-21(19(15-22)17-9-5-3-6-10-17)20(16-22)18-11-7-4-8-12-18/h3-12,19-21,23H,13-16H2,1-2H3/t19-,20-,21?,22?/m0/s1.
What are the key properties of (7S,8S)-N,N-dimethyl-7,8-diphenyl-2-azabicyclo[3.2.2]nonan-5-amine?
(7S,8S)-N,N-dimethyl-7,8-diphenyl-2-azabicyclo[3.2.2]nonan-5-amine has a molecular weight of 320.48 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8S)-N,N-dimethyl-7,8-diphenyl-2-azabicyclo[3.2.2]nonan-5-amine is sourced from PubChem (CID 44585513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).